Rasulev Research Group

Welcome to the Computational Chemistry and Cheminformatics Group

The group of Prof. Rasulev is focused on development of artificial intelligence-based predictive models to design novel bio-based polymeric materials, nanomaterials and to predict their various properties, including toxicity, solubility, elasticity, degradation rate, etc. The group applies computational chemistry, machine learning and cheminformatics methods for modeling, data analysis and development of predictive structure-property relationship models to find structural factors responsible for activity of investigated materials.

The group also involved in development of a materials database, which will be useful in designing new polymeric materials and nanomaterials, as well as assist in prediction of various properties, including degradation pathways for life cycle assessment.

Our achievements

Our team

Kristen Patnode
Kweeni Iduoku
Meade E
Anas K
Prof. Bakhtiyor Rasulev
Dr. Lyudvig Petrosyan
Dr. Gerardo Casanola-Martin